Comprehensive linkage of defect and phase equilibria through ferroelectric transition behavior in BaTiO3-based dielectrics: Part 2. Defect modeling under low oxygen partial pressure conditions

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Abstract

Defect and phase equilibria have been investigated through the ferroelectric phase transition behavior of pure and equilibrated nonstoichiometric BaTiO3 powders. The paraelectric-ferroelectric phase transition temperature (TC-T) was found to vary systematically with materials fabricated with different Ba/Ti ratio (g*) and under various oxygen partial pressure (Po2) conditions.1 The solubility regime, as determined through the TC-T variation, decreased with decreasing.(Po2) Determining the solubility limits and equilibrating the defect reactions at the solubility limits provide a direct approach to calculate the defect formation energies and provide data to test a new defect model for concurrent defect reactions of partial Schottky and reduction defects. A refined approach introduces a balanced equilibrium between the oxygen vacancy concentrations controlled by the partial Schottky and reduction reactions. In the limiting ambient cases the approach gives the expected results, and also fully explains the solubility trends under low Po2's. Universally, the theory supports all the experimental data over different temperatures and Po2's.

Original languageEnglish (US)
Pages (from-to)1753-1761
Number of pages9
JournalJournal of the American Ceramic Society
Volume91
Issue number6
DOIs
StatePublished - Jun 1 2008

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phase equilibrium
partial pressure
Phase equilibria
Partial pressure
Ferroelectric materials
defect
Oxygen
Defects
oxygen
solubility
Solubility
modeling
phase transition
Phase transitions
Oxygen vacancies
Powders
Superconducting transition temperature
temperature
energy

All Science Journal Classification (ASJC) codes

  • Ceramics and Composites
  • Materials Chemistry

Cite this

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title = "Comprehensive linkage of defect and phase equilibria through ferroelectric transition behavior in BaTiO3-based dielectrics: Part 2. Defect modeling under low oxygen partial pressure conditions",
abstract = "Defect and phase equilibria have been investigated through the ferroelectric phase transition behavior of pure and equilibrated nonstoichiometric BaTiO3 powders. The paraelectric-ferroelectric phase transition temperature (TC-T) was found to vary systematically with materials fabricated with different Ba/Ti ratio (g*) and under various oxygen partial pressure (Po2) conditions.1 The solubility regime, as determined through the TC-T variation, decreased with decreasing.(Po2) Determining the solubility limits and equilibrating the defect reactions at the solubility limits provide a direct approach to calculate the defect formation energies and provide data to test a new defect model for concurrent defect reactions of partial Schottky and reduction defects. A refined approach introduces a balanced equilibrium between the oxygen vacancy concentrations controlled by the partial Schottky and reduction reactions. In the limiting ambient cases the approach gives the expected results, and also fully explains the solubility trends under low Po2's. Universally, the theory supports all the experimental data over different temperatures and Po2's.",
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TY - JOUR

T1 - Comprehensive linkage of defect and phase equilibria through ferroelectric transition behavior in BaTiO3-based dielectrics

T2 - Part 2. Defect modeling under low oxygen partial pressure conditions

AU - Lee, Soonil

AU - Randall, Clive A.

AU - Liu, Zi Kui

PY - 2008/6/1

Y1 - 2008/6/1

N2 - Defect and phase equilibria have been investigated through the ferroelectric phase transition behavior of pure and equilibrated nonstoichiometric BaTiO3 powders. The paraelectric-ferroelectric phase transition temperature (TC-T) was found to vary systematically with materials fabricated with different Ba/Ti ratio (g*) and under various oxygen partial pressure (Po2) conditions.1 The solubility regime, as determined through the TC-T variation, decreased with decreasing.(Po2) Determining the solubility limits and equilibrating the defect reactions at the solubility limits provide a direct approach to calculate the defect formation energies and provide data to test a new defect model for concurrent defect reactions of partial Schottky and reduction defects. A refined approach introduces a balanced equilibrium between the oxygen vacancy concentrations controlled by the partial Schottky and reduction reactions. In the limiting ambient cases the approach gives the expected results, and also fully explains the solubility trends under low Po2's. Universally, the theory supports all the experimental data over different temperatures and Po2's.

AB - Defect and phase equilibria have been investigated through the ferroelectric phase transition behavior of pure and equilibrated nonstoichiometric BaTiO3 powders. The paraelectric-ferroelectric phase transition temperature (TC-T) was found to vary systematically with materials fabricated with different Ba/Ti ratio (g*) and under various oxygen partial pressure (Po2) conditions.1 The solubility regime, as determined through the TC-T variation, decreased with decreasing.(Po2) Determining the solubility limits and equilibrating the defect reactions at the solubility limits provide a direct approach to calculate the defect formation energies and provide data to test a new defect model for concurrent defect reactions of partial Schottky and reduction defects. A refined approach introduces a balanced equilibrium between the oxygen vacancy concentrations controlled by the partial Schottky and reduction reactions. In the limiting ambient cases the approach gives the expected results, and also fully explains the solubility trends under low Po2's. Universally, the theory supports all the experimental data over different temperatures and Po2's.

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